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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 422.9
BDBM82258
Purchase
Wt: 530.6
BDBM85547
Wt: 390.5
BDBM85549
Wt: 774.9
BDBM85550
Wt: 675.7
BDBM85551
Wt: 774.9
BDBM85552
Wt: 627.7
BDBM85553
Wt: 872.9
BDBM85554
Wt: 760.8
BDBM85558
Wt: 732.9
BDBM85542
Wt: 783.9
BDBM85543
Wt: 393.4
BDBM85545
Wt: 898.0
BDBM85546
Wt: 480.5
BDBM50010361
Purchase
Wt: 280.3
BDBM50169147
Purchase
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 102 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin IV


(BOVINE)
BDBM85558
PNG
(Ang IV Nor1)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H52N8O8/c1-3-24(2)34(46-35(50)29(43-33(49)12-7-17-40)19-26-13-15-28(48)16-14-26)37(52)44-30(21-27-22-41-23-42-27)38(53)47-18-8-11-32(47)36(51)45-31(39(54)55)20-25-9-5-4-6-10-25/h4-6,9-10,13-16,22-24,29-32,34,48H,3,7-8,11-12,17-21,40H2,1-2H3,(H,41,42)(H,43,49)(H,44,52)(H,45,51)(H,46,50)(H,54,55)/t24-,29-,30-,31-,32-,34-/m0/s1
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3.25n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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3.58n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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3.58n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85542
PNG
(Divalinal Ang IV)
Show SMILES CC(C)[C@H](N)CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](Cc1cnc[nH]1)C(=O)CN1CCCC1C(=O)NC(C(O)=O)c1ccccc1)C(C)C
Show InChI InChI=1S/C39H56N8O6/c1-24(2)30(40)20-42-32(17-26-12-14-29(48)15-13-26)37(50)45-33(25(3)4)21-43-31(18-28-19-41-23-44-28)35(49)22-47-16-8-11-34(47)38(51)46-36(39(52)53)27-9-6-5-7-10-27/h5-7,9-10,12-15,19,23-25,30-34,36,42-43,48H,8,11,16-18,20-22,40H2,1-4H3,(H,41,44)(H,45,50)(H,46,51)(H,52,53)/t30-,31+,32+,33-,34?,36?/m1/s1
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4.07n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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5.54n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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5.54n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding against Angiotensin II receptor in a radioligand binding assay using [125I]-Sar1-Ile8 angiotensin-II as radioligand in rat adrenal cortical m...


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85542
PNG
(Divalinal Ang IV)
Show SMILES CC(C)[C@H](N)CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](Cc1cnc[nH]1)C(=O)CN1CCCC1C(=O)NC(C(O)=O)c1ccccc1)C(C)C
Show InChI InChI=1S/C39H56N8O6/c1-24(2)30(40)20-42-32(17-26-12-14-29(48)15-13-26)37(50)45-33(25(3)4)21-43-31(18-28-19-41-23-44-28)35(49)22-47-16-8-11-34(47)38(51)46-36(39(52)53)27-9-6-5-7-10-27/h5-7,9-10,12-15,19,23-25,30-34,36,42-43,48H,8,11,16-18,20-22,40H2,1-4H3,(H,41,44)(H,45,50)(H,46,51)(H,52,53)/t30-,31+,32+,33-,34?,36?/m1/s1
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6.39n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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7n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Angiotensin 4 from human recombinant IRAP expressed in CHOK1 cells


Bioorg Med Chem 16: 6924-35 (2008)


Article DOI: 10.1016/j.bmc.2008.05.046
BindingDB Entry DOI: 10.7270/Q2B857XC
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85546
PNG
(Ang(3-9))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(O)=O)c1cnc[nH]1
Show InChI InChI=1S/C45H59N11O9/c1-5-26(4)37(54-39(58)32(52-42(61)36(46)25(2)3)19-28-13-15-30(57)16-14-28)43(62)53-33(20-29-21-47-23-49-29)44(63)56-17-9-12-35(56)41(60)51-31(18-27-10-7-6-8-11-27)40(59)55-38(45(64)65)34-22-48-24-50-34/h6-8,10-11,13-16,21-26,31-33,35-38,57H,5,9,12,17-20,46H2,1-4H3,(H,47,49)(H,48,50)(H,51,60)(H,52,61)(H,53,62)(H,54,58)(H,55,59)(H,64,65)/t26-,31-,32-,33-,35-,36-,37-,38+/m0/s1
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7.17n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85558
PNG
(Ang IV Nor1)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H52N8O8/c1-3-24(2)34(46-35(50)29(43-33(49)12-7-17-40)19-26-13-15-28(48)16-14-26)37(52)44-30(21-27-22-41-23-42-27)38(53)47-18-8-11-32(47)36(51)45-31(39(54)55)20-25-9-5-4-6-10-25/h4-6,9-10,13-16,22-24,29-32,34,48H,3,7-8,11-12,17-21,40H2,1-2H3,(H,41,42)(H,43,49)(H,44,52)(H,45,51)(H,46,50)(H,54,55)/t24-,29-,30-,31-,32-,34-/m0/s1
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8.49n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85545
PNG
(Ang(3-5))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(O)=O
Show InChI InChI=1S/C20H31N3O5/c1-5-12(4)17(20(27)28)23-18(25)15(22-19(26)16(21)11(2)3)10-13-6-8-14(24)9-7-13/h6-9,11-12,15-17,24H,5,10,21H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t12-,15-,16-,17-/m0/s1
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9.91n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85553
PNG
(Ang(3-7))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C31H45N7O7/c1-5-18(4)26(37-27(40)22(35-28(41)25(32)17(2)3)13-19-8-10-21(39)11-9-19)29(42)36-23(14-20-15-33-16-34-20)30(43)38-12-6-7-24(38)31(44)45/h8-11,15-18,22-26,39H,5-7,12-14,32H2,1-4H3,(H,33,34)(H,35,41)(H,36,42)(H,37,40)(H,44,45)/t18-,22-,23-,24-,25-,26-/m0/s1
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10.5n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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12n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-Asp-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-ValTyr-Ile-His-Pro-Phe-OH Tris(hydrotrifluoroacetate) from human AT1 re...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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12.1n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 963-9 (1995)


Article DOI: 10.1016/j.bioorg.2015.01.005
BindingDB Entry DOI: 10.7270/Q2J38R2N
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85549
PNG
(NleYI-6-hexamide)
Show SMILES CCCC[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCC(N)=O
Show InChI InChI=1S/C21H34N4O3/c1-2-3-12-17(22)20(27)25-18(15-16-10-6-4-7-11-16)21(28)24-14-9-5-8-13-19(23)26/h4,6-7,10-11,17-18H,2-3,5,8-9,12-15,22H2,1H3,(H2,23,26)(H,24,28)(H,25,27)/t17-,18+/m0/s1
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13.7n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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14n/an/an/an/an/an/an/an/a



Donghua University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from Angiotensin 2 type-1A receptor in rat vascular smooth muscle cells after 150 mins by gamma counting method


Bioorg Med Chem 24: 2023-31 (2016)


Article DOI: 10.1016/j.bmc.2016.03.028
BindingDB Entry DOI: 10.7270/Q2XW4MQB
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50010361
PNG
((S)-1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4...)
Show SMILES Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1N
Show InChI InChI=1S/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)/t26-/m0/s1
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14.1n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)


BindingDB Entry DOI: 10.7270/Q20G3HN9
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85547
PNG
(Ang(3-6))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C26H38N6O6/c1-5-15(4)22(25(36)31-20(26(37)38)11-17-12-28-13-29-17)32-23(34)19(30-24(35)21(27)14(2)3)10-16-6-8-18(33)9-7-16/h6-9,12-15,19-22,33H,5,10-11,27H2,1-4H3,(H,28,29)(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t15-,19-,20-,21-,22-/m0/s1
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14.4n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor from rat liver; n=8


J Med Chem 36: 2676-88 (1993)


Article DOI: 10.1021/jm00070a012
BindingDB Entry DOI: 10.7270/Q2QF8TGV
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against angiotensin II receptor, type 1 in rat liver


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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17n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-Angiotensin 2 from AT1 receptor in human PLC/PRF/5 cells after 20 mins by liquid scintillation counting


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85543
PNG
(Ang(2-7))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C37H57N11O8/c1-5-21(4)30(34(53)45-27(17-23-18-41-19-43-23)35(54)48-15-7-9-28(48)36(55)56)47-32(51)26(16-22-10-12-24(49)13-11-22)44-33(52)29(20(2)3)46-31(50)25(38)8-6-14-42-37(39)40/h10-13,18-21,25-30,49H,5-9,14-17,38H2,1-4H3,(H,41,43)(H,44,52)(H,45,53)(H,46,50)(H,47,51)(H,55,56)(H4,39,40,42)/t21-,25-,26-,27-,28-,29-,30-/m0/s1
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33.5n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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33.8n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)


BindingDB Entry DOI: 10.7270/Q20G3HN9
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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45.7n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)


BindingDB Entry DOI: 10.7270/Q20G3HN9
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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56.2n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human aminopeptidase N transfected in HEK293 cells assessed as formation of p-nitroaniline


J Med Chem 52: 5612-8 (2009)


Article DOI: 10.1021/jm900651p
BindingDB Entry DOI: 10.7270/Q2TB185F
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in HEK293 cells


Bioorg Med Chem 16: 6924-35 (2008)


Article DOI: 10.1016/j.bmc.2008.05.046
BindingDB Entry DOI: 10.7270/Q2B857XC
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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62.4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


J Med Chem 54: 3779-92 (2011)


Article DOI: 10.1021/jm200036n
BindingDB Entry DOI: 10.7270/Q2348KPZ
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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95n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonistic potency against angiotensin II receptor using [125I]- Sar,Ile8-angiotensin II as the radioligand in rat adrenal cortical membra...


J Med Chem 35: 4751-63 (1993)


Article DOI: 10.1021/jm00103a014
BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (OATP1B1)


(Homo sapiens (Human))
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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160n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells


Mol Pharmacol 83: 1257-67 (2013)


Article DOI: 10.1124/mol.112.084152
BindingDB Entry DOI: 10.7270/Q2TB18BP
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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407n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]valsartan from human recombinant AT1 receptor expressed in CHO cells after 40 mins by liquid scintillation counting


J Med Chem 52: 5612-8 (2009)


Article DOI: 10.1021/jm900651p
BindingDB Entry DOI: 10.7270/Q2TB185F
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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830n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN expressed in HEK293 cells


Bioorg Med Chem 16: 6924-35 (2008)


Article DOI: 10.1016/j.bmc.2008.05.046
BindingDB Entry DOI: 10.7270/Q2B857XC
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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832n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human IRAP transfected in HEK293 cells assessed as formation of p-nitroaniline


J Med Chem 52: 5612-8 (2009)


Article DOI: 10.1021/jm900651p
BindingDB Entry DOI: 10.7270/Q2TB185F
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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841n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human AP-N transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


J Med Chem 54: 3779-92 (2011)


Article DOI: 10.1021/jm200036n
BindingDB Entry DOI: 10.7270/Q2348KPZ
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (OATP1B3)


(Homo sapiens (Human))
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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890n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells


Mol Pharmacol 83: 1257-67 (2013)


Article DOI: 10.1124/mol.112.084152
BindingDB Entry DOI: 10.7270/Q2TB18BP
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85554
PNG
(Ang(1-7) D-Ala7)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(O)=O
Show InChI InChI=1S/C39H60N12O11/c1-6-20(4)31(37(60)49-28(15-23-17-43-18-45-23)34(57)46-21(5)38(61)62)51-35(58)27(14-22-9-11-24(52)12-10-22)48-36(59)30(19(2)3)50-33(56)26(8-7-13-44-39(41)42)47-32(55)25(40)16-29(53)54/h9-12,17-21,25-28,30-31,52H,6-8,13-16,40H2,1-5H3,(H,43,45)(H,46,57)(H,47,55)(H,48,59)(H,49,60)(H,50,56)(H,51,58)(H,53,54)(H,61,62)(H4,41,42,44)/t20-,21+,25-,26-,27-,28-,30-,31-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85554
PNG
(Ang(1-7) D-Ala7)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(O)=O
Show InChI InChI=1S/C39H60N12O11/c1-6-20(4)31(37(60)49-28(15-23-17-43-18-45-23)34(57)46-21(5)38(61)62)51-35(58)27(14-22-9-11-24(52)12-10-22)48-36(59)30(19(2)3)50-33(56)26(8-7-13-44-39(41)42)47-32(55)25(40)16-29(53)54/h9-12,17-21,25-28,30-31,52H,6-8,13-16,40H2,1-5H3,(H,43,45)(H,46,57)(H,47,55)(H,48,59)(H,49,60)(H,50,56)(H,51,58)(H,53,54)(H,61,62)(H4,41,42,44)/t20-,21+,25-,26-,27-,28-,30-,31-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85552
PNG
(Ang IV D-Val1)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33+,34-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM85551
PNG
(Ang(4-8))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C35H45N7O7/c1-3-21(2)30(41-31(44)26(36)16-23-11-13-25(43)14-12-23)33(46)39-27(18-24-19-37-20-38-24)34(47)42-15-7-10-29(42)32(45)40-28(35(48)49)17-22-8-5-4-6-9-22/h4-6,8-9,11-14,19-21,26-30,43H,3,7,10,15-18,36H2,1-2H3,(H,37,38)(H,39,46)(H,40,45)(H,41,44)(H,48,49)/t21-,26-,27-,28-,29-,30-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM50169147
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(4-hyd...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C14H20N2O4/c1-8(2)12(15)13(18)16-11(14(19)20)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)/t11-,12-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens)
BDBM50169147
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(4-hyd...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C14H20N2O4/c1-8(2)12(15)13(18)16-11(14(19)20)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)/t11-,12-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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3.00E+3n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)


BindingDB Entry DOI: 10.7270/Q20G3HN9
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM50010361
PNG
((S)-1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4...)
Show SMILES Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1N
Show InChI InChI=1S/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)/t26-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM50010361
PNG
((S)-1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4...)
Show SMILES Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1N
Show InChI InChI=1S/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)/t26-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin IV


(BOVINE)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Washington State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1242-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.006
BindingDB Entry DOI: 10.7270/Q2377783
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50010361
PNG
((S)-1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4...)
Show SMILES Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1N
Show InChI InChI=1S/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)/t26-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)


BindingDB Entry DOI: 10.7270/Q20G3HN9
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 963-9 (1995)


Article DOI: 10.1016/j.bioorg.2015.01.005
BindingDB Entry DOI: 10.7270/Q2J38R2N
More data for this
Ligand-Target Pair
Angiotensin type II receptor


(Sus scrofa)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]angiotensin 2 from AT2 receptor in pig uterus membrane after 1.5 hrs by gamma counting


Bioorg Med Chem 18: 4570-90 (2010)


Article DOI: 10.1016/j.bmc.2010.03.064
BindingDB Entry DOI: 10.7270/Q2VD70F0
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169147
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(4-hyd...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C14H20N2O4/c1-8(2)12(15)13(18)16-11(14(19)20)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)/t11-,12-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
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